Geometry & MOs

Info

ID:	197647
PubChem CID:	78983887
Reduced:	BrN2S2O4H11C12 (1)
Stoich.:	AB2C2D4E11F12 (1)
Weight, g/mol:	388.93911
ΔH_f, kcal/mol:	-34.87
Dipole, Da:	7.09
IP(EA), eV:	-9.55(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=C(C=CS2)Br

DOS

IR

Vibrations